CID 1380234

5-(4-chlorobenzylidene)rhodanine

Structural Information

Molecular Formula
C10H6ClNOS2
SMILES
C1=CC(=CC=C1/C=C\2/C(=O)NC(=S)S2)Cl
InChI
InChI=1S/C10H6ClNOS2/c11-7-3-1-6(2-4-7)5-8-9(13)12-10(14)15-8/h1-5H,(H,12,13,14)/b8-5-
InChIKey
HIWUQEXWRIIIKB-YVMONPNESA-N
Compound name
(5Z)-5-[(4-chlorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

45
Patents

254.95793 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.96521 153.9
[M+Na]+ 277.94715 166.2
[M+NH4]+ 272.99175 162.9
[M+K]+ 293.92109 156.5
[M-H]- 253.95065 156.7
[M+Na-2H]- 275.93260 158.4
[M]+ 254.95738 157.5
[M]- 254.95848 157.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe